sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Distribution of Cavity similarities measured by Shaper

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Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :

PDB ID	HET	Uniprot Name	EC Number
3t88	S0N	1,4-dihydroxy-2-naphthoyl-CoA synthase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3t88	S0N	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	1.000
4i4z	2NE	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.630
4i42	1HA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.620
4qii	2NE	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.568
4i52	1HA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.541
4qij	1HA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.528
1q51	CAA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.506
2uzf	CAA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.496
3gw9	VNI	Lanosterol 14-alpha-demethylase	/	0.458
5jsc	FAD	Putative acyl-CoA dehydrogenase	/	0.453